SCHEMBL7950129

SCHEMBL7950129

O=C(NCc1ccco1)c1[nH]c(=O)c2ccccc2c1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.54
POLB P06746 4/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK10 P53779 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
PKM P14618 2/20 0.51
TSHR P16473 2/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
ESR1 P03372 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7947429 0.82 KMT2A (0.51) HPGDHTTALDH1A1HSD17B10KDM4E
SCHEMBL7950155 0.76 ALDH1A1 (0.62) HPGDPOLBHTTALDH1A1HSD17B10
SCHEMBL7946502 0.73 TACR1 (0.41) HPGDHTTALDH1A1HSD17B10KDM4E
SCHEMBL13598053 0.72 MEN1 (0.70) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL31092083 0.71 HPGD (1.00) HPGDPOLBHTTALDH1A1HSD17B10
SCHEMBL7947081 0.70 PARP1 (0.63) HPGDALDH1A1HSD17B10KDM4EMEN1
SCHEMBL1490952 0.70 HPGD (0.76) HPGDPOLBALDH1A1HSD17B10LMNA
SCHEMBL34468953 0.68 HPGD (0.58) HPGDPOLBHTTALDH1A1HSD17B10
SCHEMBL6205086 0.68 ALDH1A1 (0.69) HPGDPOLBHTTALDH1A1HSD17B10
SCHEMBL3095669 0.68 ALDH1A1 (0.70) HPGDPOLBHTTALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 HPGD 3673/4885POLB 4419/4885HTT 4389/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.